PubChemLite - 374542-38-8 (C24H14Cl2F6N2O2)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H14Cl2F6N2O2/c25-16-8-7-13(20(26)12-16)9-19(21(35)33-17-5-1-3-14(10-17)23(27,28)29)22(36)34-18-6-2-4-15(11-18)24(30,31)32/h1-12H,(H,33,35)(H,34,36)

InChIKey

TUNWMWGOONTLOR-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	547.04088	216.4
[M+Na]+	569.02282	224.6
[M-H]-	545.02632	217.9
[M+NH4]+	564.06742	222.1
[M+K]+	584.99676	215.1
[M+H-H2O]+	529.03086	203.5
[M+HCOO]-	591.03180	220.1
[M+CH3COO]-	605.04745	246.9
[M+Na-2H]-	567.00827	214.0
[M]+	546.03305	212.6
[M]-	546.03415	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.04088

216.4

[M+Na]+

569.02282

224.6

[M-H]-

545.02632

217.9

[M+NH4]+

564.06742

222.1

[M+K]+

584.99676

215.1

[M+H-H2O]+

529.03086

203.5

[M+HCOO]-

591.03180

220.1

[M+CH3COO]-

605.04745

246.9

[M+Na-2H]-

567.00827

214.0

[M]+

546.03305

212.6

[M]-

546.03415

212.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

374542-38-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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